added MPI ctest for unres single MD

[unres.git] / source / unres / src_MD / CMakeLists.txt

diff --git a/source/unres/src_MD/CMakeLists.txt b/source/unres/src_MD/CMakeLists.txt
index e82c6f3..1f42622 100644 (file)
--- a/source/unres/src_MD/CMakeLists.txt
+++ b/source/unres/src_MD/CMakeLists.txt
@@ -59,7 +59,6 @@ set(UNRES_MD_SRC0
        parmread.F 
        pinorm.f 
        printmat.f 
-       prng_32.F 
        q_measure.F 
        randgens.f 
        rattle.F 
@@ -81,6 +80,13 @@ set(UNRES_MD_SRC0
        unres.F
 )
 
+if(Fortran_COMPILER_NAME STREQUAL "ifort")
+  set(UNRES_MD_SRC0 ${UNRES_MD_SRC0} prng.f ) 
+else()
+  set(UNRES_MD_SRC0 ${UNRES_MD_SRC0} prng_32.F )
+endif (Fortran_COMPILER_NAME STREQUAL "ifort")
+
+
 set(UNRES_MD_SRC3 
        energy_p_new_barrier.F 
        energy_p_new-sep_barrier.F 
@@ -111,7 +117,6 @@ set(UNRES_MD_PP_SRC
        MP.F 
        MREMD.F 
        parmread.F 
-       prng_32.F 
        q_measure1.F 
        q_measure3.F 
        q_measure.F
@@ -130,6 +135,10 @@ set(UNRES_MD_PP_SRC
 ) 
 
 
+if(NOT Fortran_COMPILER_NAME STREQUAL "ifort")
+  set(UNRES_MD_PP_SRC ${UNRES_MD_PP_SRC} prng_32.F) 
+endif(NOT Fortran_COMPILER_NAME STREQUAL "ifort")
+
 #================================================
 # Set comipiler flags for different sourcefiles  
 #================================================
@@ -205,7 +214,9 @@ if (UNRES_WITH_MPI)
   set(CPPFLAGS "${CPPFLAGS} -DMP -DMPI") 
 endif(UNRES_WITH_MPI)
 
+#=========================================
 # Apply preprocesor flags to *.F files
+#=========================================
 set_property(SOURCE ${UNRES_MD_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS} )  
 
 
@@ -214,10 +225,10 @@ set_property(SOURCE ${UNRES_MD_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS}
 #========================================
 if(UNRES_WITH_MPI) 
   # binary with mpi
-  set(UNRES_BIN "unres_${Fortran_COMPILER_NAME}_MPICH_${UNRES_FF}.exe")
+  set(UNRES_BIN "unres_${Fortran_COMPILER_NAME}_MPICH_${UNRES_MD_FF}.exe")
 else(UNRES_WITH_MPI)
   # binary without mpi
-  set(UNRES_BIN "unres_${Fortran_COMPILER_NAME}_single_${UNRES_FF}.exe")
+  set(UNRES_BIN "unres_${Fortran_COMPILER_NAME}_single_${UNRES_MD_FF}.exe")
 endif(UNRES_WITH_MPI)  
 
 #=========================================
@@ -342,9 +353,12 @@ XAAAAAAAAAAX
 # Add tests
 
 if(NOT UNRES_WITH_MPI)
-
+                  
   add_test(NAME UNRES_MD_Ala10 COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/test_single_ala.sh )
 
+else(NOT UNRES_WITH_MPI)
+
+  add_test(NAME UNRES_MD_MPI_Ala10 COMMAND mpirun -np 1 ${CMAKE_CURRENT_BINARY_DIR}/test_single_ala.sh )
 
 endif(NOT UNRES_WITH_MPI)